(6-methoxypyridazin-3-yl)methanamine

• ChemBase ID: 802494
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: C(N)c1nnc(cc1)OC
• Canonical SMILES: NCc1ccc(nn1)OC
• InChI: InChI=1S/C6H9N3O/c1-10-6-3-2-5(4-7)8-9-6/h2-3H,4,7H2,1H3
• InChIKey: OJJIBQJQYBAKQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridazin-3-yl)methanamine
• IUPAC Traditional name: (6-methoxypyridazin-3-yl)methanamine
• Synonyms: (6-METHOXYPYRIDAZIN-3-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1996136
• LogD (pH = 7.4): -1.5550611
• Log P: -0.58017
• Molar Refractivity: 38.4923 cm^3
• Polarizability: 14.441177 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%